Geometry & MOs

Info

ID:	9018
PubChem CID:	85079
Reduced:	TiO6C18H36 (1)
Stoich.:	AB6C18D36 (1)
Weight, g/mol:	396.19913
ΔH_f, kcal/mol:	-355.05
Dipole, Da:	7.59
IP(EA), eV:	-8.04(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-1-olate;1-ethoxy-3-oxobut-1-en-1-olate;titanium(4+)

Drug info:

PubChemData

Smile

CCCC[O-].CCCC[O-].CCCC[O-].CCOC(=CC(=O)C)[O-].[Ti+4]

DOS

IR

Vibrations